2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methyl-imidazolidin-3-ium

Systemtic Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methyl-imidazolidin-3-ium Openeye Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methyl-imidazolidin-3-ium CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-4-methylimidazolidin-3-ium IUPAC Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methylimidazolidin-3-ium Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-4-methyl-imidazolidin-3-ium Formula: C13H21N2S+ MolecularWeight: 237.38424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC([NH2+]1)SCC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC1CNC([NH2+]1)SCC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C13H20N2S/c1-9-4-5-12(6-10(9)2)8-16-13-14-7-11(3)15-13/h4-6,11,13-15H,7-8H2,1-3H3/p+1